SCHEMBL3977754

SCHEMBL3977754

NC(=O)N(S)c1cccc(OCCCCCOc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
MAOB P27338 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3974991 0.87 KDM4E (0.44) MTNR1AMTNR1BSIRT2KDM4E
SCHEMBL3984320 0.87 PTGDR2 (0.42) PPARDMTNR1AMTNR1BSIRT2HDAC1
SCHEMBL3978617 0.86 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3975780 0.86 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3982083 0.86 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3973759 0.85 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL4283387 0.84 MTNR1A (0.44) MRGPRX4PPARDMTNR1AMTNR1BKDM4E
SCHEMBL4981179 0.84 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL3984539 0.84 MTNR1A (0.49) PPARAMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL3980369 0.84 MTNR1A (0.44) MRGPRX4MTNR1AMTNR1BALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 MRGPRX4 2232/4885PPARD 2878/4885PPARA 3361/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MRGPRX4 2155/4885PPARD 3178/4885PPARA 3650/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.